N-hexyl-N-octylformamide

C15H31NO — CID 169189817

IUPACN-hexyl-N-octylformamide
SMILESCCCCCCCCN(C=O)CCCCCC
InChIInChI=1S/C15H31NO/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyVEUSWOCZYIUTBH-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.39
Rot. Bonds13

About N-hexyl-N-octylformamide

N-hexyl-N-octylformamide (PubChem CID 169189817) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-hexyl-N-octylformamide.

Molecular Properties

Compound NameN-hexyl-N-octylformamide
PubChem CID169189817
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-hexyl-N-octylformamide
SMILESCCCCCCCCN(C=O)CCCCCC
InChIInChI=1S/C15H31NO/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15H,3-14H2,1-2H3
InChIKeyVEUSWOCZYIUTBH-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-N-dodecylformamide
CID 174803125
N-butyl-N-octadecylformamide
CID 54030417
N-ethyl-N-hexylformamide
CID 54565973
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
2-[butyl(formyl)amino]ethylmercury
CID 142121724
N,N-dimethylformamide;dodecane
CID 174900991
N-methyl-N-tetradecylformamide
CID 10422507
(E)-3-(dioctylamino)prop-2-enal
CID 134949607
disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
CID 175796205
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470
N-methyl-N-pentylformamide
CID 22754748
N-(5-aminopentyl)-N-ethylformamide
CID 155337011

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-octylformamide?
The IUPAC name of N-hexyl-N-octylformamide (CID 169189817) is N-hexyl-N-octylformamide.
What is the SMILES notation for N-hexyl-N-octylformamide?
The canonical SMILES for N-hexyl-N-octylformamide is CCCCCCCCN(C=O)CCCCCC.
What is the InChIKey of N-hexyl-N-octylformamide?
The InChIKey is VEUSWOCZYIUTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of N-hexyl-N-octylformamide?
N-hexyl-N-octylformamide has a molecular weight of 241.42 g/mol, XLogP of 4.39, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-octylformamide is sourced from PubChem (CID 169189817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).